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ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID L2uLyztkZq5
InChI InChI=1S/C20H21F2N5O3S/c1-4-30-19(29)14-11-6-5-9(2)7-13(11)31-18(14)25-17(28)16-24-20-23-10(3)8-12(15(21)22)27(20)26-16/h8-9,15H,4-7H2,1-3H3,(H,25,28)
InChIKey GUYPNNVWEYSWNS-UHFFFAOYSA-N
Mol Weight 449.48 g/mol
Molecular Formula C20H21F2N5O3S
Exact Mass 449.133317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SNq622pDvC
Name ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H21F2N5O3S/c1-4-30-19(29)14-11-6-5-9(2)7-13(11)31-18(14)25-17(28)16-24-20-23-10(3)8-12(15(21)22)27(20)26-16/h8-9,15H,4-7H2,1-3H3,(H,25,28)
InChIKey GUYPNNVWEYSWNS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1658
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9311791; UBI_ID: UBI-001659
Temperature 308 °C